SCHEMBL4901644

SCHEMBL4901644

CCOC(=O)c1cccc(-c2cccc(Br)n2)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.50
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 2/20 0.48
ALDH1A1 P00352 1/20 0.48
GALR1 P47211 1/20 0.48
BRAF P15056 1/20 0.47
LMNA P02545 1/20 0.47
THRB P10828 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30107993 0.84 CDK8 (0.54) NPC1RAB9A
SCHEMBL29617015 0.82 TP53 (0.62) TP53POLBHPGDNPC1RAB9A
SCHEMBL4900084 0.82 NPC1 (0.48) TP53POLBHPGDNPC1RAB9A
SCHEMBL1279251 0.82 TP53 (0.46) TP53POLBHPGDNPC1RAB9A
SCHEMBL14759026 0.81 CYP1A2 (0.53) NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4193217 0.80 TP53 (0.61) TP53POLBHPGDGALR1
SCHEMBL2388712 0.80 NPC1 (0.58) TP53POLBHPGDNPC1RAB9A
SCHEMBL29978844 0.80 NPC1 (0.58) TP53POLBHPGDNPC1RAB9A
SCHEMBL6225292 0.80 KDM4E (0.57) TP53POLBHPGDKDM4EGALR1
SCHEMBL1513281 0.79 CDK8 (0.50) TP53POLBHPGDNPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160229818-A1 Compounds for Nonsense Suppression, and Methods for Their Use PTC THERAPEUTICS, INC. (US) 2016-08-11 US disclosed
US-9315467-B2 Compounds for nonsense suppression, and methods for their use PTC THERAPEUTICS, INC. (US) 2016-04-19 US disclosed
US-20080119473-A1 Compounds for Nonsense Suppression, and Methods for Their Use PTC THERAPEUTICS, INC. 2008-05-22 US disclosed
EP-1799212-A2 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE PTC Therapeutics, Inc. (US) 2007-06-27 EP disclosed
WO-2006044505-A2 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE PTC THERAPEUTICS, INC. (US) 2006-04-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080119473-A1 Compounds for Nonsense Suppression, and Methods for Their Use NSUN2, UPF1, NSUN3 TP53 682/4885POLB 184/4885HPGD 3698/4885
US-20160229818-A1 Compounds for Nonsense Suppression, and Methods for Their Use NSUN2, UPF1, NSUN3 TP53 682/4885POLB 184/4885HPGD 3698/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.